(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid

C16H15FN2O3 — CID 170211571

IUPAC(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)c1cccc(-c2ccc(F)cc2)n1)C(=O)O
InChIInChI=1S/C16H15FN2O3/c1-2-12(16(21)22)19-15(20)14-5-3-4-13(18-14)10-6-8-11(17)9-7-10/h3-9,12H,2H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyQVKQAXPXVUSDDZ-LBPRGKRZSA-N
MW302.31 g/mol
LogP2.48
Rot. Bonds5

About (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid

(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid (PubChem CID 170211571) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid
PubChem CID170211571
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid
SMILESCC[C@H](NC(=O)c1cccc(-c2ccc(F)cc2)n1)C(=O)O
InChIInChI=1S/C16H15FN2O3/c1-2-12(16(21)22)19-15(20)14-5-3-4-13(18-14)10-6-8-11(17)9-7-10/h3-9,12H,2H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyQVKQAXPXVUSDDZ-LBPRGKRZSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(6-phenylpyridine-2-carbonyl)amino]butanedioic acid
CID 155969180
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643700
N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 118343436
(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 45142211
(2S)-2-[(6-fluoropyridine-2-carbonyl)amino]butanedioic acid
CID 115496524
methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 77402052
N-[(3S)-2,2-dimethyl-4-oxohexan-3-yl]-6-(3-fluorophenyl)pyridine-2-carboxamide
CID 160581871
(2S)-2-[[6-(4-methylsulfonylphenyl)pyridine-2-carbonyl]amino]-3-(4-phenylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 142862187
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid (CID 170211571) is (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid is CC[C@H](NC(=O)c1cccc(-c2ccc(F)cc2)n1)C(=O)O.
What is the InChIKey of (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid?
The InChIKey is QVKQAXPXVUSDDZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-2-12(16(21)22)19-15(20)14-5-3-4-13(18-14)10-6-8-11(17)9-7-10/h3-9,12H,2H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid?
(2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid has a molecular weight of 302.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 170211571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).